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6-Oxabicyclo[3.2.2]nonan-7-one, 4-(phenylthio)-, (1.alpha.,4.beta.,5.alpha.)-
SpectraBase Compound ID GGB16UdBKQB
InChI InChI=1S/C14H16O2S/c15-14-10-6-8-12(16-14)13(9-7-10)17-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2/t10-,12+,13-/m0/s1
InChIKey JEBNPTFAXMDDOS-UHTWSYAYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C14H16O2S
Exact Mass 248.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98twUTWVNw2
Name 6-Oxabicyclo[3.2.2]nonan-7-one, 4-(phenylthio)-, (1.alpha.,4.beta.,5.alpha.)-
Alternate Name(s) (1.alpha.,4.alpha.,5.alpha.)-4-(phenylthio)-6-oxabicyclo(3.2.2)nonan-7-one (1S,4S,5R)-4-(phenylsulfanyl)-6-oxabicyclo[3.2.2]nonan-7-one
CAS Registry Number 64274-04-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2S
InChI InChI=1S/C14H16O2S/c15-14-10-6-8-12(16-14)13(9-7-10)17-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2/t10-,12+,13-/m0/s1
InChIKey JEBNPTFAXMDDOS-UHTWSYAYSA-N
Molecular Weight 248.340 g/mol
SMILES C1(O[C@]2([C@](CC[C@@]1(CC2)[H])(Sc1ccccc1)[H])[H])=O
SPLASH splash10-000j-0930000000-0e45a837d8cbe7b6bdc5
Source of Spectrum C-101-3890-0
Wiley ID 1251003